N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-[3-(4-piperonylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O5S/c1-19-5-8-23(9-6-19)35(31,32)27-22-4-2-3-21(16-22)26(30)29-13-11-28(12-14-29)17-20-7-10-24-25(15-20)34-18-33-24/h2-10,15-16,27H,11-14,17-18H2,1H3